Description

2-[(13C)Isocyano]-2-Methylpropane is a stable isotope-labeled derivative of tert-butyl isocyanide, where the carbon atom in the isocyano group is enriched with the 13C isotope. This compound is a critical reagent for advanced research, enabling precise tracking and mechanistic studies in chemical reactions and metabolic pathways. It is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and material science industries for applications such as isotopic labeling, NMR spectroscopy, and the synthesis of complex heterocycles.

Application

• Isotopic Labeling Studies: Acts as a 13C-labeled building block for tracing reaction mechanisms and metabolic fate in pharmaceutical development.
• NMR Spectroscopy: Serves as a valuable internal standard or probe in nuclear magnetic resonance (NMR) analysis due to its distinct isotopic signature.
• Multicomponent Reactions (MCRs): Used as a key reactant in Passerini and Ugi-type reactions for the efficient synthesis of complex peptide mimetics and heterocyclic libraries.
• Organometallic Chemistry: Functions as a versatile ligand for transition metal catalysts, influencing selectivity and activity in cross-coupling reactions.
• Pharmaceutical Intermediate: Employed in the synthesis of isotopically labeled active pharmaceutical ingredients (APIs) for clinical research and drug metabolism studies.
• Agrochemical Research: Utilized in the development of novel, labeled pesticide or herbicide candidates to study environmental degradation and mode of action.

Basic Information

Product Name	2-[(13C)Isocyano]-2-Methylpropane
CAS No.	116571-79-0
Molecular Formula	C5H913CN
Molecular Weight	84.15 g/mol (for 13C isotopologue)
Synonyms	(13C)tert-Butyl isocyanide; 2-Isocyano-2-methyl[13C]propane; (13C)tert-Butyl isonitrile; 2-Methyl-2-[(13C)isocyano]propane; (13C)t-BuNC; (13C)-Tert-butyl isocyanide; 1,1-Dimethylethyl[13C]isocyanide
EINECS	Contact for details

Quality Control

Our 2-[(13C)Isocyano]-2-Methylpropane is manufactured under strict quality control protocols to ensure high isotopic and chemical purity for sensitive research applications. Each batch is analyzed to confirm identity, isotopic enrichment, and purity, with comprehensive data provided on the accompanying Certificate of Analysis (COA). We adhere to cGMP principles where applicable to support regulatory filings.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be amber-colored or stored in opaque secondary packaging.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
13C Isotopic Enrichment	≥ 99 atom % 13C
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.